1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide

C19H27IN4S — CID 111524611

IUPAC1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ncc(C)s1)NCC1CCCc2ccccc21.I
InChIInChI=1S/C19H26N4S.HI/c1-3-20-19(23-13-18-21-11-14(2)24-18)22-12-16-9-6-8-15-7-4-5-10-17(15)16;/h4-5,7,10-11,16H,3,6,8-9,12-13H2,1-2H3,(H2,20,22,23);1H
InChIKeyPQMXLOZXSJCDBC-UHFFFAOYSA-N
MW470.42 g/mol
LogP4.24
Rot. Bonds5

About 1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide

1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide (PubChem CID 111524611) has the molecular formula C19H27IN4S and a molecular weight of 470.42 g/mol. Its IUPAC name is 1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
PubChem CID111524611
Molecular FormulaC19H27IN4S
Molecular Weight470.42 g/mol
Exact Mass470.10
IUPAC Name1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ncc(C)s1)NCC1CCCc2ccccc21.I
InChIInChI=1S/C19H26N4S.HI/c1-3-20-19(23-13-18-21-11-14(2)24-18)22-12-16-9-6-8-15-7-4-5-10-17(15)16;/h4-5,7,10-11,16H,3,6,8-9,12-13H2,1-2H3,(H2,20,22,23);1H
InChIKeyPQMXLOZXSJCDBC-UHFFFAOYSA-N
XLogP4.24
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111595594
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111535878
2-(cyclopropylmethyl)-1-ethyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111868820
1-ethyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111015109
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111534265
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethyl-2-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111898046
2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365113
1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111524619
1-cyclopropyl-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111495609
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 109417392
1-[(1-benzylpiperidin-2-yl)methyl]-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111524676
1-cyclopropyl-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495610

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide (CID 111524611) is 1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide is CCN/C(=N\Cc1ncc(C)s1)NCC1CCCc2ccccc21.I.
What is the InChIKey of 1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide?
The InChIKey is PQMXLOZXSJCDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S.HI/c1-3-20-19(23-13-18-21-11-14(2)24-18)22-12-16-9-6-8-15-7-4-5-10-17(15)16;/h4-5,7,10-11,16H,3,6,8-9,12-13H2,1-2H3,(H2,20,22,23);1H.
What are the key properties of 1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide?
1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide has a molecular weight of 470.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111524611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).